⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL21888618 | 0.77 | — | — | |
| SCHEMBL21983782 | 0.74 | — | — | |
| SCHEMBL31588603 | 0.74 | CA5A (0.43) | — | |
| SCHEMBL23996174 | 0.68 | — | — | |
| SCHEMBL19936352 | 0.68 | ALDH1A1 (0.35) | — | |
| SCHEMBL3200602 | 0.67 | — | — | |
| SCHEMBL16543564 | 0.66 | — | — | |
| SCHEMBL27305988 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL18474263 | 0.65 | — | — | |
| SCHEMBL6648653 | 0.65 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150065468-A1 | BIARYL ACETAMIDE COMPOUNDS AND METHODS OF USE THEREOF | AMBIT BIOSCIENCES CORP (US) | 2015-03-05 | — | — | US | disclosed |